ChemSpider 2D Image | 1-(Cyclopropylmethyl)-2-oxo-4-(4-phenyl-1-piperidinyl)-1,2-dihydro-3-pyridinecarbonitrile | C21H23N3O

1-(Cyclopropylmethyl)-2-oxo-4-(4-phenyl-1-piperidinyl)-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC21H23N3O
  • Average mass333.427 Da
  • Monoisotopic mass333.184113 Da
  • ChemSpider ID34980884

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(Cyclopropylmethyl)-2-oxo-4-(4-phenyl-1-piperidinyl)-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
1-(Cyclopropylmethyl)-2-oxo-4-(4-phenyl-1-piperidinyl)-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
1-(Cyclopropylméthyl)-2-oxo-4-(4-phényl-1-pipéridinyl)-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 1-(cyclopropylmethyl)-1,2-dihydro-2-oxo-4-(4-phenyl-1-piperidinyl)- [ACD/Index Name]
[3H]JNJ-40068782
1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
950196-50-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3337510/
JNJ-40068782

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 486.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.2±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.07
ACD/KOC (pH 5.5): 1007.02
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.07
ACD/KOC (pH 7.4): 1007.02
Polar Surface Area: 47 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 270.2±5.0 cm3

Click to predict properties on the Chemicalize site


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